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3 similar compounds to monomer 95538

Compile data set for download or QSAR
Wt: 356.2
BDBM95536
Wt: 390.7
BDBM95537
Wt: 425.1
BDBM95539

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 95536,95537,95539   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (Human))
BDBM95536
PNG
(5-methyl-3-phenyl-4-isoxazolecarboxylic acid [(Z)-...)
Show SMILES Cc1onc(c1C(=O)ON=C(N)c1ccc(o1)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C16H11N4O6/c1-9-13(14(18-25-9)10-5-3-2-4-6-10)16(21)26-19-15(17)11-7-8-12(24-11)20(22)23/h2-8H,1H3,(H-,17,19)/q-1/p+1
PDB
MMDB

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PC sid
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Similars

PCBioAssay
n/an/a 1.11E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (Human))
BDBM95539
PNG
(3-(2,3-dichlorophenyl)-5-methyl-4-isoxazolecarboxy...)
Show SMILES Cc1onc(c1C(=O)ON=C(N)c1ccc(o1)[N+]([O-])=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H9Cl2N4O6/c1-7-12(14(20-27-7)8-3-2-4-9(17)13(8)18)16(23)28-21-15(19)10-5-6-11(26-10)22(24)25/h2-6H,1H3,(H-,19,21)/q-1/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 198n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (Human))
BDBM95537
PNG
(3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic ...)
Show SMILES Cc1onc(c1C(=O)ON=C(N)c1ccc(o1)[N+]([O-])=O)-c1ccccc1Cl
Show InChI InChI=1S/C16H10ClN4O6/c1-8-13(14(19-26-8)9-4-2-3-5-10(9)17)16(22)27-20-15(18)11-6-7-12(25-11)21(23)24/h2-7H,1H3,(H-,18,20)/q-1/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 495n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair